4,5-bis(chloranyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-one Formula: C13H15Cl2N4O3S2+ MolecularWeight: 410.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(=C(C=N2)Cl)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C(=C(C=N2)Cl)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C13H14Cl2N4O3S2/c14-10-8-16-19(13(20)12(10)15)9-17-3-5-18(6-4-17)24(21,22)11-2-1-7-23-11/h1-2,7-8H,3-6,9H2/p+1